Information card for entry 2223202

Structure parameters

• Chemical name: <i>N</i>-(2-Hydroxyethyl)-2-[2-(hydroxyimino)propanamido]ethanaminium 2-(hydroxyimino)propanoate
• Formula: C10 H20 N4 O6
• Calculated formula: C10 H20 N4 O6
• SMILES: O=C([O-])C(=N\O)\C.O/N=C(\C)C(=O)NCC[NH2+]CCO
• Title of publication: <i>N</i>-(2-Hydroxyethyl)-2-[2-(hydroxyimino)propanamido]ethanaminium 2-(hydroxyimino)propanoate
• Authors of publication: Iskenderov, Turganbay S.; Kalibabchuk, Valentina A.; Golenya, Irina A.; Dudarenko, Nikolay M.; Usenko, Natalia I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2077 - o2078
• a: 9.355 ± 0.002 Å
• b: 6.996 ± 0.001 Å
• c: 20.606 ± 0.004 Å
• α: 90°
• β: 96.99 ± 0.03°
• γ: 90°
• Cell volume: 1338.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes